(4S)-4-azaniumyl-5-oxopentanoate
  Marvin  07091011592D          

 10  9  0  0  0  0            999 V2000
   -0.7145   -0.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.1375    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4289    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.1375    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.4289    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.9625    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4289    1.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.2750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.1375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  9  3  1  0  0  0  0
  3  7  1  1  0  0  0
  6  4  2  0  0  0  0
  5  4  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
M  CHG  2   5  -1   7   1
M  END
> <ID>
CHEBI:57501

> <NAME>
(S)-4-amino-5-oxopentanoic acid zwitterion

> <DEFINITION>
Zwitterionic form of (S)-4-amino-5-oxopentanoic acid.

> <STAR>
3

> <SYNONYM>
(S)-4-amino-5-oxopentanoate; (4S)-4-ammonio-5-oxopentanoate

> <IUPAC_NAME>
(4S)-4-azaniumyl-5-oxopentanoate

> <FORMULA>
C5H9NO3

> <MASS>
131.12990

> <MONOISOTOPIC_MASS>
131.05824

> <CHARGE>
0

> <SMILES>
[H]C(=O)[C@@H]([NH3+])CCC([O-])=O

> <INCHI>
InChI=1S/C5H9NO3/c6-4(3-7)1-2-5(8)9/h3-4H,1-2,6H2,(H,8,9)/t4-/m0/s1

> <INCHIKEY>
MPUUQNGXJSEWTF-BYPYZUCNSA-N

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